10048-13-2
Product Name:
STERIGMATOCYSTIN
Formula:
C18H12O6
Synonyms:
3a,12c-Dihydro-8-hydroxy-6-methoxy-7H-furol[3′,2′:4,5]furo[2,3-c]xanthen-7-one;3a,12c-Dihydro-8-hydroxy-6-methoxy-7H-furol[3′,2′:4,5]furo[2,3-c]xanthen-7-one
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Pale yellow solid; [HSDB] Yellow powder; [MSDSonline] |
|---|---|
| Color/Form | Pale-yellow crystals |
| Melting Point | 246 °C with decomp |
| Solubility | Insol in strong aq alkali; sparingly sol in most organic solvents; readily sol in dimethylsulfoxide, chloroform, pyridine |
| Optical Rotation | SPECIFIC OPTICAL ROTATION: -398 DEG @ 20 °C/D (CHLOROFORM, 1%) |
| Collision Cross Section | 163 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine] |
| Other Experimental Properties | Forms deep-yellow color with aq sodium hydroxide and dark green-brown color with sulfuric acid; emits orange-red fluorescence in ultra-violet light |
| Chemical Classes | Biological Agents -> Mycotoxins |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08 |
| GHS Hazard Statements |
H301:Acute toxicity,oral H351:Carcinogenicity |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. |
COMPUTED DESCRIPTORS
| Molecular Weight | 324.3 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 324.06338810 g/mol |
| Monoisotopic Mass | 324.06338810 g/mol |
| Topological Polar Surface Area | 74.2 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 562 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Sterigmatocystin is an organic heteropentacyclic compound whose skeleton comprises a xanthene ring system ortho-fused to a dihydrofuranofuran moiety. The parent of the class of sterigmatocystins. It has a role as a metabolite. It is functionally related to a dihydrodemethylsterigmatocystin.